N-[2-(2,4-dichlorophenyl)-3H-benzimidazol-5-yl]-1-(furan-2-yl)methanimine

C18H11Cl2N3O — CID 1377130

IUPACN-[2-(2,4-dichlorophenyl)-3H-benzimidazol-5-yl]-1-(furan-2-yl)methanimine
SMILESClc1ccc(-c2nc3ccc(/N=C/c4ccco4)cc3[nH]2)c(Cl)c1
InChIInChI=1S/C18H11Cl2N3O/c19-11-3-5-14(15(20)8-11)18-22-16-6-4-12(9-17(16)23-18)21-10-13-2-1-7-24-13/h1-10H,(H,22,23)/b21-10+
InChIKeyBHDOAHQEZRUMCQ-UFFVCSGVSA-N
MW356.21 g/mol
LogP5.88
Rot. Bonds3

About N-[2-(2,4-dichlorophenyl)-3H-benzimidazol-5-yl]-1-(furan-2-yl)methanimine

N-[2-(2,4-dichlorophenyl)-3H-benzimidazol-5-yl]-1-(furan-2-yl)methanimine (PubChem CID 1377130) has the molecular formula C18H11Cl2N3O and a molecular weight of 356.21 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)-3H-benzimidazol-5-yl]-1-(furan-2-yl)methanimine.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)-3H-benzimidazol-5-yl]-1-(furan-2-yl)methanimine
PubChem CID1377130
Molecular FormulaC18H11Cl2N3O
Molecular Weight356.21 g/mol
Exact Mass355.03
IUPAC NameN-[2-(2,4-dichlorophenyl)-3H-benzimidazol-5-yl]-1-(furan-2-yl)methanimine
SMILESClc1ccc(-c2nc3ccc(/N=C/c4ccco4)cc3[nH]2)c(Cl)c1
InChIInChI=1S/C18H11Cl2N3O/c19-11-3-5-14(15(20)8-11)18-22-16-6-4-12(9-17(16)23-18)21-10-13-2-1-7-24-13/h1-10H,(H,22,23)/b21-10+
InChIKeyBHDOAHQEZRUMCQ-UFFVCSGVSA-N
XLogP5.88
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.21
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-chloro-2-(2,4-dichlorophenyl)-1H-benzimidazole
CID 60646513
6-chloro-2-(furan-2-yl)-1H-benzimidazole
CID 5056728
1-(4-chlorophenyl)-N-(2-phenyl-3H-benzimidazol-5-yl)methanimine
CID 15999560
2-(2-chlorophenyl)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 110527081
N-(3,4-dimethylphenyl)-1-(furan-2-yl)methanimine
CID 961444
4-(6-chloro-1H-benzimidazol-2-yl)benzene-1,3-diol
CID 136903703
3-(1H-benzimidazol-2-yl)-2-(2,4-dichlorophenyl)quinoline
CID 71230104
1-(2,4-dichlorophenyl)-N-(3,4-dichlorophenyl)methanimine
CID 3629789
1-(furan-2-yl)-N-(6-propylsulfanyl-1H-benzimidazol-2-yl)methanimine
CID 71835016
6-chloro-2-(2,6-dimethyl-3-pyridinyl)-1H-benzimidazole
CID 60975061
4-chloro-2-(6-chloro-1H-benzimidazol-2-yl)-N-methylaniline
CID 139915272
2-(6-chloro-1H-benzimidazol-2-yl)-6-methylphenol
CID 135988298

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)-3H-benzimidazol-5-yl]-1-(furan-2-yl)methanimine?
The IUPAC name of N-[2-(2,4-dichlorophenyl)-3H-benzimidazol-5-yl]-1-(furan-2-yl)methanimine (CID 1377130) is N-[2-(2,4-dichlorophenyl)-3H-benzimidazol-5-yl]-1-(furan-2-yl)methanimine.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)-3H-benzimidazol-5-yl]-1-(furan-2-yl)methanimine?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)-3H-benzimidazol-5-yl]-1-(furan-2-yl)methanimine is Clc1ccc(-c2nc3ccc(/N=C/c4ccco4)cc3[nH]2)c(Cl)c1.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)-3H-benzimidazol-5-yl]-1-(furan-2-yl)methanimine?
The InChIKey is BHDOAHQEZRUMCQ-UFFVCSGVSA-N. The full InChI is InChI=1S/C18H11Cl2N3O/c19-11-3-5-14(15(20)8-11)18-22-16-6-4-12(9-17(16)23-18)21-10-13-2-1-7-24-13/h1-10H,(H,22,23)/b21-10+.
What are the key properties of N-[2-(2,4-dichlorophenyl)-3H-benzimidazol-5-yl]-1-(furan-2-yl)methanimine?
N-[2-(2,4-dichlorophenyl)-3H-benzimidazol-5-yl]-1-(furan-2-yl)methanimine has a molecular weight of 356.21 g/mol, XLogP of 5.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)-3H-benzimidazol-5-yl]-1-(furan-2-yl)methanimine is sourced from PubChem (CID 1377130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).